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Pent-4-yn-1-yl 4-methylbenzenesulfonate
SpectraBase Compound ID DTdIVENdVLp
InChI InChI=1S/C12H14O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h1,6-9H,4-5,10H2,2H3
InChIKey HUDMRXOBWIYVMZ-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDQAzu1Dbb
Name Pent-4-yn-1-yl 4-Methylbenzenesulfonate
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h1,6-9H,4-5,10H2,2H3
InChIKey HUDMRXOBWIYVMZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 238.301 g/mol
Reported Formula C12H14O3S
SMILES C(OS(c1ccc(C)cc1)(=O)=O)CCC#C
SPLASH splash10-00kf-9300000000-0ff5248c9aef3bc264a6
Source of Spectrum US20170267667A1
Wiley ID 1866096